ChemDiv1_002593
TL;DR: ChemDiv1_002593 (CAS 296245-45-9) is a chemical compound with molecular formula C28H25BrN2O3 and molecular weight 516.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-(2-cyano-2,2-diphenylethyl)-5-methoxy-1-methylindole-3-carboxylate
Also Known As: ChemDiv1_002593, ethyl 6-bromo-2-(2-cyano-2,2-diphenylethyl)-5-methoxy-1-methyl-1H-indole-3-carboxylate, A0707/0033010, ethyl 6-bromo-2-(2-cyano-2,2-diphenylethyl)-5-methoxy-1-methylindole-3-carboxy late, ethyl 6-bromo-2-(2-cyano-2,2-diphenylethyl)-5-methoxy-1-methylindole-3-carboxylate
| Molecular Formula | C28H25BrN2O3 |
|---|---|
| Molecular Weight | 516.10 g/mol |
| LogP | 6.17848 |
| Topological Polar Surface Area | 64.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.10486 |
| Heavy Atoms | 34 |
| Complexity | 1332.5461 |
Chemical Identifiers
| CAS Number | 296245-45-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
ChemDiv1_002593 (CAS 296245-45-9), with molecular formula C28H25BrN2O3 and molecular weight 516.10 g/mol. IUPAC: ethyl 6-bromo-2-(2-cyano-2,2-diphenylethyl)-5-methoxy-1-methylindole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002593
Property Insights of ChemDiv1_002593
The XLogP value of 6.17848 indicates that ChemDiv1_002593 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002593. Following Lipinski's Rule of Five, ChemDiv1_002593 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002593?
The CAS number of ChemDiv1_002593 is 296245-45-9.
What is the molecular formula of ChemDiv1_002593?
The molecular formula of ChemDiv1_002593 is C28H25BrN2O3.
What is the molecular weight of ChemDiv1_002593?
The molecular weight of ChemDiv1_002593 is 516.10 g/mol.
Where can I buy ChemDiv1_002593?
You can request a quote for ChemDiv1_002593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002593?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.